5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C23H23N5O3 — CID 9461880

IUPAC5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCOc1cc(/C=N\n2cnc3c(cnn3-c3ccccc3)c2=O)ccc1OC
InChIInChI=1S/C23H23N5O3/c1-3-4-12-31-21-13-17(10-11-20(21)30-2)14-25-27-16-24-22-19(23(27)29)15-26-28(22)18-8-6-5-7-9-18/h5-11,13-16H,3-4,12H2,1-2H3/b25-14-
InChIKeyHNGRVTWTSHOWDM-QFEZKATASA-N
MW417.47 g/mol
LogP3.65
Rot. Bonds8

About 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 9461880) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID9461880
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCOc1cc(/C=N\n2cnc3c(cnn3-c3ccccc3)c2=O)ccc1OC
InChIInChI=1S/C23H23N5O3/c1-3-4-12-31-21-13-17(10-11-20(21)30-2)14-25-27-16-24-22-19(23(27)29)15-26-28(22)18-8-6-5-7-9-18/h5-11,13-16H,3-4,12H2,1-2H3/b25-14-
InChIKeyHNGRVTWTSHOWDM-QFEZKATASA-N
XLogP3.65
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-(4-butoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462061
5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749561
5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462088
5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462122
(Z)-1-(4-methoxy-3-propoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028321
1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
CID 9462057
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239
(Z)-1-(3-ethoxy-4-methoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028006
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 55352746
5-[2-(2-fluorophenoxy)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 17446572

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 9461880) is 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CCCCOc1cc(/C=N\n2cnc3c(cnn3-c3ccccc3)c2=O)ccc1OC.
What is the InChIKey of 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HNGRVTWTSHOWDM-QFEZKATASA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-4-12-31-21-13-17(10-11-20(21)30-2)14-25-27-16-24-22-19(23(27)29)15-26-28(22)18-8-6-5-7-9-18/h5-11,13-16H,3-4,12H2,1-2H3/b25-14-.
What are the key properties of 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 417.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 9461880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).